CID 39706

N-(phenylthio)propoxur

Structural Information

Molecular Formula
C17H19NO3S
SMILES
CC(C)OC1=CC=CC=C1OC(=O)N(C)SC2=CC=CC=C2
InChI
InChI=1S/C17H19NO3S/c1-13(2)20-15-11-7-8-12-16(15)21-17(19)18(3)22-14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKey
UMAXIYUNYJXUGI-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-methyl-N-phenylsulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.10855 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11583 174.3
[M+Na]+ 340.09777 179.4
[M-H]- 316.10127 182.0
[M+NH4]+ 335.14237 189.1
[M+K]+ 356.07171 177.3
[M+H-H2O]+ 300.10581 165.7
[M+HCOO]- 362.10675 192.7
[M+CH3COO]- 376.12240 209.7
[M+Na-2H]- 338.08322 174.8
[M]+ 317.10800 179.7
[M]- 317.10910 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.